dimethyl-[[4-[[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[[(3S)-1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[oxo-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[[[(3S)-1-(2-thienylsulfonyl)nipecotoyl]amino]methyl]benzyl]ammonium Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-22(2)14-17-9-7-16(8-10-17)13-21-20(24)18-5-3-11-23(15-18)28(25,26)19-6-4-12-27-19/h4,6-10,12,18H,3,5,11,13-15H2,1-2H3,(H,21,24)/p+1/t18-/m0/s1